SCHEMBL10087182

SCHEMBL10087182

CC(NC(C)(C)C)c1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.43
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
AAK1 Q2M2I8 2/20 0.34
BCAT2 O15382 3/20 0.34
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.33
OPRM1 P35372 1/20 0.32
FPR2 P25090 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13245144 0.82 HDAC6 (0.39) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14930814 0.82 HDAC6 (0.39) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10315777 0.81 SLC6A2 (0.37) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL765645 0.80 APLNR (0.45) APLNRBCAT2PDE2AKDM4EDGAT1
SCHEMBL16129145 0.80 APLNR (0.39) APLNRSLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL18367830 0.77 APLNR (0.46) APLNRAAK1PDE2AKDM4EDGAT1
SCHEMBL18367829 0.77 APLNR (0.46) APLNRAAK1PDE2AKDM4EDGAT1
SCHEMBL25226577 0.76 APLNR (0.39) APLNRAAK1BCAT2KDM4E
SCHEMBL14831200 0.76 APLNR (0.39) APLNRAAK1BCAT2KDM4E
SCHEMBL2951316 0.76 APLNR (0.39) APLNRAAK1BCAT2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 APLNR 579/4885SLC6A3 628/4885CHRNA1 71/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.